Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cytochrome P450 3A4' and Ligand = 'BDBM50387828'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50387828 (CHEMBL2057523) Show SMILES CCN(C)c1nc2ccc(cc2o1)C(=O)N(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1)CC1CCCCC1 |r| Show InChI InChI=1S/C33H41N5O5S/c1-3-37(2)32-35-27-15-14-25(17-30(27)43-32)31(40)38(19-24-12-8-5-9-13-24)20-29(39)28(16-23-10-6-4-7-11-23)36-33(41)42-21-26-18-34-22-44-26/h4,6-7,10-11,14-15,17-18,22,24,28-29,39H,3,5,8-9,12-13,16,19-21H2,1-2H3,(H,36,41)/t28-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Infectious Diseases BVBA Curated by ChEMBL					Assay Description Inhibition of CYP3A4 in human liver microsomes using midazolam as substrate after 10 mins by LC/MS/MS analysis				Bioorg Med Chem Lett 22: 4998-5002 (2012) Article DOI: 10.1016/j.bmcl.2012.06.022 BindingDB Entry DOI: 10.7270/Q22Z16KC
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